CID 197340

Be-18591

Structural Information

Molecular Formula
C22H35N3O
SMILES
CCCCCCCCCCCCN=CC1=C(C=C(N1)C2=CC=CN2)OC
InChI
InChI=1S/C22H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-23-18-21-22(26-2)17-20(25-21)19-14-13-16-24-19/h13-14,16-18,24-25H,3-12,15H2,1-2H3
InChIKey
YGDMZCDTTXTBHS-UHFFFAOYSA-N
Compound name
N-dodecyl-1-[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

357.278 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.285276 191.7
[M+Na]+ 380.267218 196.1
[M-H]- 356.270724 193.6
[M+NH4]+ 375.311823 204.6
[M+K]+ 396.241158 189.7
[M+H-H2O]+ 340.275260 181.8
[M+HCOO]- 402.276201 213.6
[M+CH3COO]- 416.291851 216.1
[M+Na-2H]- 378.252666 190.1
[M]+ 357.27745142 196.4
[M]- 357.27854858 196.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.